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SMILES: CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12

InChI Key: InChIKey=IXTRHVKNNCAPDT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 484197   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM484197 (CDD-1976 | WO2023004291, Compound CDD-1976) Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine					Assay Description To determine the Ki values of active compounds, 25 nM Mpro was mixed with increasing concentrations of compounds (from 4 nM to 4,000 nM with twofold ...				Proc Natl Acad Sci U S A 118: (2021) Article DOI: 10.1073/pnas.2111172118 BindingDB Entry DOI: 10.7270/Q2W380FK
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM484197 (CDD-1976 | WO2023004291, Compound CDD-1976) Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab-His6 (2019-nCoV)	BDBM484197 (CDD-1976 | WO2023004291, Compound CDD-1976) Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2023004291	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To evaluate the potency of synthesized compounds against Mpro, the proteolytic activity of 50 nM Mpro -His and Mpro was first measured in the presenc...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7MGQ
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM484197 (CDD-1976 | WO2023004291, Compound CDD-1976) Show SMILES CN(C)C(=O)COc1ccc(cc1C=O)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine					Assay Description Inhibition of SARS-CoV-2 replication in VERO E6 and HEK hACE2 cells was measured using an xCELLigence RTCA HT Analyzer (Agilent Technologies), tracki...				Proc Natl Acad Sci U S A 118: (2021) Article DOI: 10.1073/pnas.2111172118 BindingDB Entry DOI: 10.7270/Q2W380FK
					More data for this Ligand-Target Pair